D305-0112 Screening compound: 2-(4-chloro-3-methylphenoxy)-N-{2-[(4-methylpiperazin-1-yl)methyl]-1-propyl-1H-1,3-benzodiazol-5-yl}acetamide

D305-0112 Screening compound: 2-(4-chloro-3-methylphenoxy)-N-{2-[(4-methylpiperazin-1-yl)methyl]-1-propyl-1H-1,3-benzodiazol-5-yl}acetamide
D305-0112 Screening compound: 2-(4-chloro-3-methylphenoxy)-N-{2-[(4-methylpiperazin-1-yl)methyl]-1-propyl-1H-1,3-benzodiazol-5-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D305-0112
2-(4-chloro-3-methylphenoxy)-N-{2-[(4-methylpiperazin-1-yl)methyl]-1-propyl-1H-1,3-benzodiazol-5-yl}acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D305-0112

Molecular Formula

C25H32ClN5O2 (C25 H32 ClN5 O2)

Compound Name

2-(4-chloro-3-methylphenoxy)-N-{2-[(4-methylpiperazin-1-yl)methyl]-1-propyl-1H-1,3-benzodiazol-5-yl}acetamide

IUPAC name

2-(4-chloro-3-methylphenoxy)-N-{2-[(4-methylpiperazin-1-yl)methyl]-1-propyl-1H-13-benzodiazol-5-yl}acetamide

SMILES

CCCn1c(ccc(NC(COc(cc2)cc(C)c2Cl)=O)c2)c2nc1CN1CCN(C)CC1

InChI

InChI=1S/C25H32ClN5O2/c1-4-9-31-23-8-5-19(27-25(32)17-33-20-6-7-21(26)18(2)14-20)15-22(23)28-24(31)16-30-12-10-29(3)11-13-30/h5-8,14-15H,4,9-13,16-17H2,1-3H3,(H,27,32)

InChI Key

GCLZJYODQZPMIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09767076

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.01

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.521

Distribution Coefficient, logD

3.550

Water Solubility, LogSw

-4.44

Polar Surface Area

48.979

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

8.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

D305-0112 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Nucleic Acid Ligands (8311 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D305-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D305-0112?
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What is the minimum amount of D305-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D305-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D305-0112
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D305-0112 available by request